Project name: 839965718f32093

Status: done

submitted: 2017-12-04 22:38:56, status changed: 2017-12-05 07:58:09

Project settings
Protein sequence(s) LPLDEHCERLPYDASKWEFPRDRLKLGKPLGRGAFGQVIEADAFGIDKTATCRTVAVKMLKEGATHSEHRALMSELKILIHIGHHLNVVNLLGACTKPGGPLMVIVEFCKFGNLSTYLRSKRNEFVPYKDLYKDFLTLEHLICYSFQVAKGMEFLASRKCIHRDLAARNILLSEKNVVKICDFGLARDIYKDPDYVRKARLPLKWMAPETIFDRVYTIQSDVWSFGVLLWEIFSLGASPYPGVKIDEEFCRRLKEGTRMRAPDYTTPEMYQTMLDCWHGEPSQRPTFSELVEHLGNLLQANAQ input pdb
Peptide sequence PCAIWF
Simulation mc cycles50
Peptide secondary structure psipred CCCCCC
Flexible regions
Unlikely to bind regions
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Zoom/rotate predicted model of the complex using mouse. Click the "View" button on the right panel to load the appropriate model. View in JSmol (pure html5/js) if you got rendering problems.
Models are ranked and numbered according to their occurrence in docking trajectory (1 = most probable result).
Representative conformations
model_1 Download
model_2 Download
model_3 Download
model_4 Download
model_5 Download
model_6 Download
model_7 Download
model_8 Download
model_9 Download
model_10 Download
 

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Click the "View" button to load the contact map of appropriate model.
Representative conformations
model_1 View
model_2 View
model_3 View
model_4 View
model_5 View
model_6 View
model_7 View
model_8 View
model_9 View
model_10 View

Receptor residuePeptide residue
Receptor residuePeptide residue
Receptor residuePeptide residue
Select trajectory from the right panel to display animation in JSmol. Note that it may hangs browser window for few minutes or ever.
Trajectories
replica_1 Download
replica_2 Download
replica_3 Download
replica_4 Download
replica_5 Download
replica_6 Download
replica_7 Download
replica_8 Download
replica_9 Download
replica_10 Download
Selected model: model_1.pdb (most representative model of the best cluster) download the model
Details about clusters
cluster namecluster density average rmsdmax rmsdnumber of elements
cluster_1.pdb ( medoid) 41.3042 3.53475 24.2172 146
cluster_2.pdb ( medoid) 22.7954 4.91327 28.9224 112
cluster_3.pdb ( medoid) 19.4116 7.31522 28.2339 142
cluster_4.pdb ( medoid) 19.0952 5.70823 25.9679 109
cluster_5.pdb ( medoid) 17.5119 9.99321 36.4927 175
cluster_6.pdb ( medoid) 10.2144 9.39851 23.8659 96
cluster_7.pdb ( medoid) 5.0148 10.1699 39.405 51
cluster_8.pdb ( medoid) 4.56783 13.3543 33.0558 61
cluster_9.pdb ( medoid) 4.20543 17.8341 42.3463 75
cluster_10.pdb ( medoid) 2.54781 12.9523 42.5832 33

 
Laboratory of Theory of Biopolymers 2015